Browse entries in the PDBbind-CN Database
HEADER 4PL6_COMPLEX COMPND 4PL6_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 57 HIS PHE GLU GLU GLY GLU ARG VAL LEU ALA LYS HIS SER SEQRES 2 A 57 ASP CYS PHE TYR GLU ALA LYS VAL LEU LYS VAL GLU PHE SEQRES 3 A 57 LYS ASP ASN GLU TRP LYS TYR PHE VAL HIS TYR ILE GLY SEQRES 4 A 57 TRP ASN LYS SER TRP ASP GLU TRP ILE ARG LEU ASP CYS SEQRES 5 A 57 LEU LEU LYS HIS SER HET M A 3L 34 ATOM 1 N HIS A 51 19.142 -10.941 -13.935 1.00 58.71 N ATOM 2 CA HIS A 51 19.846 -9.695 -14.188 1.00 48.82 C ATOM 3 C HIS A 51 19.667 -9.236 -15.633 1.00 45.77 C ATOM 4 O HIS A 51 19.371 -10.032 -16.527 1.00 46.79 O ATOM 5 CB HIS A 51 21.329 -9.847 -13.857 1.00 51.40 C ATOM 6 CG HIS A 51 22.019 -8.547 -13.628 1.00 56.65 C ATOM 7 ND1 HIS A 51 21.348 -7.352 -13.513 1.00 58.44 N ATOM 8 CD2 HIS A 51 23.338 -8.251 -13.462 1.00 63.35 C ATOM 9 CE1 HIS A 51 22.213 -6.374 -13.311 1.00 67.79 C ATOM 10 NE2 HIS A 51 23.426 -6.900 -13.274 1.00 67.90 N ATOM 11 HN3 HIS A 51 19.512 -11.681 -14.565 1.00 0.00 H ATOM 12 HN2 HIS A 51 18.127 -10.807 -14.115 1.00 0.00 H ATOM 13 HN1 HIS A 51 19.285 -11.224 -12.944 1.00 0.00 H ATOM 14 N PHE A 52 19.850 -7.941 -15.847 1.00 35.91 N ATOM 15 CA PHE A 52 19.585 -7.315 -17.128 1.00 29.97 C ATOM 16 C PHE A 52 20.751 -6.412 -17.504 1.00 33.92 C ATOM 17 O PHE A 52 21.486 -5.950 -16.637 1.00 42.82 O ATOM 18 CB PHE A 52 18.286 -6.511 -17.061 1.00 32.36 C ATOM 19 CG PHE A 52 17.075 -7.335 -16.727 1.00 36.56 C ATOM 20 CD1 PHE A 52 16.759 -7.627 -15.414 1.00 33.01 C ATOM 21 CD2 PHE A 52 16.242 -7.807 -17.732 1.00 38.74 C ATOM 22 CE1 PHE A 52 15.639 -8.375 -15.102 1.00 37.12 C ATOM 23 CE2 PHE A 52 15.120 -8.554 -17.425 1.00 31.68 C ATOM 24 CZ PHE A 52 14.820 -8.842 -16.111 1.00 29.12 C ATOM 25 H PHE A 52 20.198 -7.350 -15.065 1.00 0.00 H ATOM 26 N GLU A 53 20.920 -6.157 -18.793 1.00 33.02 N ATOM 27 CA GLU A 53 22.021 -5.331 -19.265 1.00 38.27 C ATOM 28 C GLU A 53 21.559 -3.961 -19.740 1.00 35.40 C ATOM 29 O GLU A 53 20.416 -3.774 -20.156 1.00 33.64 O ATOM 30 CB GLU A 53 22.760 -6.025 -20.408 1.00 46.58 C ATOM 31 CG GLU A 53 23.302 -7.400 -20.077 1.00 55.78 C ATOM 32 CD GLU A 53 23.510 -8.246 -21.318 1.00 61.91 C ATOM 33 OE1 GLU A 53 23.798 -7.673 -22.391 1.00 60.78 O ATOM 34 OE2 GLU A 53 23.378 -9.483 -21.223 1.00 67.84 O ATOM 35 H GLU A 53 20.251 -6.556 -19.482 1.00 0.00 H ATOM 36 N GLU A 54 22.467 -3.000 -19.664 1.00 34.86 N ATOM 37 CA GLU A 54 22.309 -1.713 -20.324 1.00 38.56 C ATOM 38 C GLU A 54 21.883 -1.924 -21.777 1.00 39.45 C ATOM 39 O GLU A 54 22.479 -2.731 -22.485 1.00 44.40 O ATOM 40 CB GLU A 54 23.630 -0.946 -20.249 1.00 40.78 C ATOM 41 CG GLU A 54 23.521 0.547 -20.287 1.00 40.73 C ATOM 42 CD GLU A 54 24.864 1.206 -20.060 1.00 48.15 C ATOM 43 OE1 GLU A 54 25.260 1.359 -18.881 1.00 38.90 O ATOM 44 OE2 GLU A 54 25.526 1.555 -21.058 1.00 50.66 O ATOM 45 H GLU A 54 23.329 -3.173 -19.109 1.00 0.00 H ATOM 46 N GLY A 55 20.831 -1.235 -22.212 1.00 31.73 N ATOM 47 CA GLY A 55 20.351 -1.338 -23.580 1.00 32.73 C ATOM 48 C GLY A 55 19.363 -2.464 -23.867 1.00 34.35 C ATOM 49 O GLY A 55 18.867 -2.590 -24.989 1.00 33.72 O ATOM 50 H GLY A 55 20.336 -0.602 -21.552 1.00 0.00 H ATOM 51 N GLU A 56 19.072 -3.280 -22.859 1.00 28.56 N ATOM 52 CA GLU A 56 18.187 -4.429 -23.042 1.00 27.22 C ATOM 53 C GLU A 56 16.715 -4.044 -23.021 1.00 27.92 C ATOM 54 O GLU A 56 16.283 -3.224 -22.210 1.00 26.39 O ATOM 55 CB GLU A 56 18.454 -5.477 -21.965 1.00 26.79 C ATOM 56 CG GLU A 56 17.634 -6.754 -22.101 1.00 27.11 C ATOM 57 CD GLU A 56 18.004 -7.795 -21.069 1.00 34.64 C ATOM 58 OE1 GLU A 56 19.048 -7.634 -20.406 1.00 33.52 O ATOM 59 OE2 GLU A 56 17.253 -8.775 -20.904 1.00 33.66 O ATOM 60 H GLU A 56 19.482 -3.097 -21.921 1.00 0.00 H ATOM 61 N ARG A 57 15.951 -4.651 -23.921 1.00 25.58 N ATOM 62 CA ARG A 57 14.504 -4.486 -23.942 1.00 26.87 C ATOM 63 C ARG A 57 13.865 -5.419 -22.932 1.00 25.88 C ATOM 64 O ARG A 57 14.190 -6.606 -22.860 1.00 29.55 O ATOM 65 CB ARG A 57 13.965 -4.743 -25.349 1.00 28.53 C ATOM 66 CG ARG A 57 14.170 -3.557 -26.279 1.00 33.42 C ATOM 67 CD ARG A 57 13.938 -3.962 -27.722 1.00 54.67 C ATOM 68 NE ARG A 57 12.842 -4.920 -27.828 1.00 60.50 N ATOM 69 CZ ARG A 57 11.848 -4.837 -28.703 1.00 71.74 C ATOM 70 NH1 ARG A 57 11.790 -3.823 -29.555 1.00 71.23 N ATOM 71 NH2 ARG A 57 10.899 -5.762 -28.710 1.00 79.25 N ATOM 72 HE ARG A 57 12.840 -5.726 -27.170 1.00 0.00 H ATOM 73 HH12 ARG A 57 11.009 -3.762 -30.239 1.00 0.00 H ATOM 74 HH11 ARG A 57 12.526 -3.088 -29.539 1.00 0.00 H ATOM 75 HH22 ARG A 57 10.118 -5.701 -29.394 1.00 0.00 H ATOM 76 HH21 ARG A 57 10.935 -6.549 -28.031 1.00 0.00 H ATOM 77 H ARG A 57 16.399 -5.263 -24.633 1.00 0.00 H ATOM 78 N VAL A 58 12.978 -4.858 -22.120 1.00 21.89 N ATOM 79 CA VAL A 58 12.390 -5.563 -21.000 1.00 21.96 C ATOM 80 C VAL A 58 10.942 -5.137 -20.856 1.00 23.84 C ATOM 81 O VAL A 58 10.501 -4.159 -21.484 1.00 22.81 O ATOM 82 CB VAL A 58 13.116 -5.238 -19.663 1.00 22.11 C ATOM 83 CG1 VAL A 58 14.599 -5.575 -19.745 1.00 23.50 C ATOM 84 CG2 VAL A 58 12.943 -3.773 -19.332 1.00 20.96 C ATOM 85 H VAL A 58 12.694 -3.873 -22.295 1.00 0.00 H ATOM 86 N LEU A 59 10.212 -5.866 -20.020 1.00 21.16 N ATOM 87 CA LEU A 59 8.919 -5.406 -19.545 1.00 20.04 C ATOM 88 C LEU A 59 9.097 -4.832 -18.142 1.00 19.93 C ATOM 89 O LEU A 59 9.709 -5.470 -17.277 1.00 23.94 O ATOM 90 CB LEU A 59 7.913 -6.547 -19.524 1.00 19.19 C ATOM 91 CG LEU A 59 7.492 -7.059 -20.904 1.00 23.94 C ATOM 92 CD1 LEU A 59 6.804 -8.413 -20.763 1.00 25.40 C ATOM 93 CD2 LEU A 59 6.582 -6.032 -21.544 1.00 27.58 C ATOM 94 H LEU A 59 10.574 -6.786 -19.698 1.00 0.00 H ATOM 95 N ALA A 60 8.564 -3.637 -17.921 1.00 19.37 N ATOM 96 CA ALA A 60 8.719 -2.963 -16.626 1.00 18.84 C ATOM 97 C ALA A 60 7.368 -2.665 -16.031 1.00 18.29 C ATOM 98 O ALA A 60 6.512 -2.064 -16.688 1.00 21.57 O ATOM 99 CB ALA A 60 9.518 -1.676 -16.782 1.00 19.46 C ATOM 100 H ALA A 60 8.027 -3.169 -18.679 1.00 0.00 H ATOM 101 N LYS A 61 7.185 -3.068 -14.777 1.00 17.99 N ATOM 102 CA LYS A 61 5.902 -2.882 -14.136 1.00 19.69 C ATOM 103 C LYS A 61 5.771 -1.476 -13.585 1.00 25.32 C ATOM 104 O LYS A 61 6.633 -0.994 -12.853 1.00 26.48 O ATOM 105 CB LYS A 61 5.713 -3.893 -13.019 1.00 21.02 C ATOM 106 CG LYS A 61 4.271 -3.933 -12.514 1.00 27.18 C ATOM 107 CD LYS A 61 4.036 -5.139 -11.640 1.00 30.85 C ATOM 108 CE LYS A 61 2.561 -5.250 -11.270 1.00 37.86 C ATOM 109 NZ LYS A 61 2.381 -6.119 -10.081 1.00 34.81 N ATOM 110 HZ1 LYS A 61 2.748 -7.070 -10.289 1.00 0.00 H ATOM 111 HZ2 LYS A 61 2.900 -5.714 -9.276 1.00 0.00 H ATOM 112 HZ3 LYS A 61 1.369 -6.180 -9.848 1.00 0.00 H ATOM 113 H LYS A 61 7.965 -3.517 -14.257 1.00 0.00 H ATOM 114 N HIS A 62 4.695 -0.809 -13.967 1.00 25.05 N ATOM 115 CA HIS A 62 4.352 0.470 -13.384 1.00 27.25 C ATOM 116 C HIS A 62 2.896 0.396 -12.966 1.00 30.35 C ATOM 117 O HIS A 62 2.033 0.044 -13.771 1.00 28.68 O ATOM 118 CB HIS A 62 4.585 1.614 -14.366 1.00 27.88 C ATOM 119 CG HIS A 62 4.260 2.957 -13.800 1.00 33.40 C ATOM 120 ND1 HIS A 62 5.181 3.724 -13.111 1.00 34.92 N ATOM 121 CD2 HIS A 62 3.104 3.662 -13.783 1.00 35.54 C ATOM 122 CE1 HIS A 62 4.610 4.842 -12.713 1.00 34.82 C ATOM 123 NE2 HIS A 62 3.347 4.832 -13.106 1.00 34.92 N ATOM 124 H HIS A 62 4.081 -1.213 -14.703 1.00 0.00 H ATOM 125 N SER A 63 2.634 0.719 -11.703 1.00 32.10 N ATOM 126 CA SER A 63 1.312 0.536 -11.141 1.00 33.15 C ATOM 127 C SER A 63 0.898 -0.916 -11.324 1.00 34.06 C ATOM 128 O SER A 63 1.551 -1.827 -10.818 1.00 39.21 O ATOM 129 CB SER A 63 0.301 1.482 -11.797 1.00 43.70 C ATOM 130 OG SER A 63 0.520 2.818 -11.374 1.00 63.32 O ATOM 131 HG SER A 63 -0.142 3.413 -11.808 1.00 0.00 H ATOM 132 H SER A 63 3.392 1.110 -11.108 1.00 0.00 H ATOM 133 N ASP A 64 -0.180 -1.125 -12.069 1.00 24.33 N ATOM 134 CA ASP A 64 -0.784 -2.446 -12.145 1.00 28.45 C ATOM 135 C ASP A 64 -0.360 -3.300 -13.333 1.00 25.95 C ATOM 136 O ASP A 64 -0.776 -4.446 -13.432 1.00 24.00 O ATOM 137 CB ASP A 64 -2.309 -2.307 -12.147 1.00 34.63 C ATOM 138 CG ASP A 64 -2.814 -1.541 -10.952 1.00 45.25 C ATOM 139 OD1 ASP A 64 -2.448 -1.934 -9.828 1.00 40.82 O ATOM 140 OD2 ASP A 64 -3.574 -0.569 -11.139 1.00 50.06 O ATOM 141 H ASP A 64 -0.597 -0.337 -12.604 1.00 0.00 H ATOM 142 N CYS A 65 0.474 -2.778 -14.222 1.00 23.30 N ATOM 143 CA CYS A 65 0.800 -3.574 -15.401 1.00 22.18 C ATOM 144 C CYS A 65 2.196 -3.335 -15.955 1.00 21.10 C ATOM 145 O CYS A 65 2.913 -2.441 -15.508 1.00 22.11 O ATOM 146 CB CYS A 65 -0.252 -3.321 -16.490 1.00 25.09 C ATOM 147 SG CYS A 65 -0.426 -1.599 -16.933 1.00 26.01 S ATOM 148 H CYS A 65 0.883 -1.832 -14.084 1.00 0.00 H ATOM 149 N PHE A 66 2.563 -4.159 -16.930 1.00 19.59 N ATOM 150 CA PHE A 66 3.907 -4.164 -17.495 1.00 20.99 C ATOM 151 C PHE A 66 3.961 -3.424 -18.809 1.00 22.56 C ATOM 152 O PHE A 66 3.119 -3.635 -19.684 1.00 23.08 O ATOM 153 CB PHE A 66 4.395 -5.592 -17.694 1.00 20.37 C ATOM 154 CG PHE A 66 4.728 -6.289 -16.418 1.00 20.36 C ATOM 155 CD1 PHE A 66 3.744 -6.941 -15.693 1.00 23.53 C ATOM 156 CD2 PHE A 66 6.028 -6.265 -15.925 1.00 20.00 C ATOM 157 CE1 PHE A 66 4.045 -7.590 -14.492 1.00 27.25 C ATOM 158 CE2 PHE A 66 6.339 -6.901 -14.739 1.00 21.32 C ATOM 159 CZ PHE A 66 5.346 -7.567 -14.014 1.00 26.11 C ATOM 160 H PHE A 66 1.862 -4.829 -17.306 1.00 0.00 H ATOM 161 N TYR A 67 4.967 -2.564 -18.946 1.00 20.40 N ATOM 162 CA TYR A 67 5.148 -1.757 -20.141 1.00 22.46 C ATOM 163 C TYR A 67 6.414 -2.137 -20.882 1.00 23.33 C ATOM 164 O TYR A 67 7.402 -2.501 -20.263 1.00 20.34 O ATOM 165 CB TYR A 67 5.227 -0.274 -19.785 1.00 24.58 C ATOM 166 CG TYR A 67 3.948 0.304 -19.255 1.00 22.44 C ATOM 167 CD1 TYR A 67 3.582 0.120 -17.933 1.00 20.21 C ATOM 168 CD2 TYR A 67 3.105 1.034 -20.082 1.00 25.74 C ATOM 169 CE1 TYR A 67 2.394 0.648 -17.441 1.00 24.86 C ATOM 170 CE2 TYR A 67 1.922 1.567 -19.603 1.00 30.71 C ATOM 171 CZ TYR A 67 1.575 1.377 -18.285 1.00 28.67 C ATOM 172 OH TYR A 67 0.396 1.917 -17.814 1.00 28.06 O ATOM 173 HH TYR A 67 -0.365 1.543 -18.326 1.00 0.00 H ATOM 174 H TYR A 67 5.650 -2.466 -18.168 1.00 0.00 H ATOM 175 N GLU A 68 6.395 -2.012 -22.205 1.00 22.40 N ATOM 176 CA GLU A 68 7.618 -2.202 -22.965 1.00 22.67 C ATOM 177 C GLU A 68 8.594 -1.096 -22.569 1.00 19.14 C ATOM 178 O GLU A 68 8.223 0.081 -22.512 1.00 21.94 O ATOM 179 CB GLU A 68 7.322 -2.201 -24.476 1.00 27.61 C ATOM 180 CG GLU A 68 6.985 -3.599 -24.989 1.00 31.37 C ATOM 181 CD GLU A 68 6.036 -3.588 -26.175 1.00 54.81 C ATOM 182 OE1 GLU A 68 5.988 -2.561 -26.882 1.00 55.78 O ATOM 183 OE2 GLU A 68 5.350 -4.610 -26.409 1.00 63.11 O ATOM 184 H GLU A 68 5.507 -1.779 -22.694 1.00 0.00 H ATOM 185 N ALA A 69 9.827 -1.492 -22.268 1.00 19.99 N ATOM 186 CA ALA A 69 10.820 -0.572 -21.724 1.00 18.83 C ATOM 187 C ALA A 69 12.224 -0.962 -22.184 1.00 21.46 C ATOM 188 O ALA A 69 12.441 -2.054 -22.740 1.00 24.03 O ATOM 189 CB ALA A 69 10.755 -0.545 -20.170 1.00 20.13 C ATOM 190 H ALA A 69 10.091 -2.486 -22.425 1.00 0.00 H ATOM 191 N LYS A 70 13.165 -0.065 -21.919 1.00 20.72 N ATOM 192 CA LYS A 70 14.576 -0.281 -22.214 1.00 21.98 C ATOM 193 C LYS A 70 15.419 0.110 -21.004 1.00 23.60 C ATOM 194 O LYS A 70 15.201 1.159 -20.387 1.00 25.11 O ATOM 195 CB LYS A 70 15.004 0.538 -23.429 1.00 26.09 C ATOM 196 CG LYS A 70 16.452 0.356 -23.820 1.00 34.77 C ATOM 197 CD LYS A 70 16.734 1.079 -25.139 1.00 49.77 C ATOM 198 CE LYS A 70 16.815 2.584 -24.936 1.00 59.61 C ATOM 199 NZ LYS A 70 16.642 3.328 -26.215 1.00 64.65 N ATOM 200 HZ1 LYS A 70 17.390 3.048 -26.881 1.00 0.00 H ATOM 201 HZ2 LYS A 70 15.712 3.104 -26.622 1.00 0.00 H ATOM 202 HZ3 LYS A 70 16.704 4.350 -26.031 1.00 0.00 H ATOM 203 H LYS A 70 12.883 0.835 -21.480 1.00 0.00 H ATOM 204 N VAL A 71 16.360 -0.751 -20.642 1.00 23.01 N ATOM 205 CA VAL A 71 17.230 -0.467 -19.505 1.00 22.75 C ATOM 206 C VAL A 71 18.296 0.522 -19.945 1.00 21.85 C ATOM 207 O VAL A 71 19.019 0.258 -20.907 1.00 27.58 O ATOM 208 CB VAL A 71 17.901 -1.731 -18.979 1.00 22.11 C ATOM 209 CG1 VAL A 71 18.902 -1.377 -17.879 1.00 22.37 C ATOM 210 CG2 VAL A 71 16.850 -2.723 -18.482 1.00 21.19 C ATOM 211 H VAL A 71 16.479 -1.637 -21.173 1.00 0.00 H ATOM 212 N LEU A 72 18.388 1.649 -19.248 1.00 22.57 N ATOM 213 CA LEU A 72 19.372 2.687 -19.574 1.00 25.77 C ATOM 214 C LEU A 72 20.615 2.570 -18.710 1.00 25.41 C ATOM 215 O LEU A 72 21.725 2.816 -19.171 1.00 27.04 O ATOM 216 CB LEU A 72 18.774 4.070 -19.377 1.00 25.77 C ATOM 217 CG LEU A 72 17.572 4.432 -20.250 1.00 30.21 C ATOM 218 CD1 LEU A 72 17.122 5.836 -19.905 1.00 35.26 C ATOM 219 CD2 LEU A 72 17.940 4.326 -21.717 1.00 37.93 C ATOM 220 H LEU A 72 17.743 1.800 -18.447 1.00 0.00 H ATOM 221 N LYS A 73 20.414 2.226 -17.440 1.00 25.25 N ATOM 222 CA LYS A 73 21.525 2.178 -16.490 1.00 29.21 C ATOM 223 C LYS A 73 21.294 1.082 -15.472 1.00 26.71 C ATOM 224 O LYS A 73 20.156 0.832 -15.083 1.00 24.43 O ATOM 225 CB LYS A 73 21.686 3.524 -15.781 1.00 33.51 C ATOM 226 CG LYS A 73 22.443 4.559 -16.606 1.00 48.09 C ATOM 227 CD LYS A 73 23.835 4.037 -16.953 1.00 57.26 C ATOM 228 CE LYS A 73 24.340 4.572 -18.288 1.00 57.17 C ATOM 229 NZ LYS A 73 24.269 6.056 -18.381 1.00 57.39 N ATOM 230 HZ1 LYS A 73 23.281 6.362 -18.269 1.00 0.00 H ATOM 231 HZ2 LYS A 73 24.851 6.477 -17.629 1.00 0.00 H ATOM 232 HZ3 LYS A 73 24.625 6.361 -19.309 1.00 0.00 H ATOM 233 H LYS A 73 19.454 1.988 -17.119 1.00 0.00 H ATOM 234 N VAL A 74 22.372 0.428 -15.050 1.00 24.05 N ATOM 235 CA VAL A 74 22.288 -0.594 -14.010 1.00 20.82 C ATOM 236 C VAL A 74 23.113 -0.141 -12.818 1.00 23.52 C ATOM 237 O VAL A 74 24.232 0.329 -12.992 1.00 25.53 O ATOM 238 CB VAL A 74 22.820 -1.951 -14.495 1.00 25.44 C ATOM 239 CG1 VAL A 74 22.686 -2.996 -13.408 1.00 30.76 C ATOM 240 CG2 VAL A 74 22.086 -2.393 -15.766 1.00 27.91 C ATOM 241 H VAL A 74 23.297 0.649 -15.470 1.00 0.00 H ATOM 242 N GLU A 75 22.573 -0.273 -11.615 1.00 22.37 N ATOM 243 CA GLU A 75 23.365 0.050 -10.428 1.00 23.41 C ATOM 244 C GLU A 75 23.150 -0.978 -9.326 1.00 26.81 C ATOM 245 O GLU A 75 22.109 -1.629 -9.257 1.00 26.31 O ATOM 246 CB GLU A 75 23.035 1.457 -9.912 1.00 26.43 C ATOM 247 CG GLU A 75 23.715 2.593 -10.691 1.00 28.40 C ATOM 248 CD GLU A 75 23.384 3.982 -10.161 1.00 33.35 C ATOM 249 OE1 GLU A 75 22.957 4.104 -8.997 1.00 42.26 O ATOM 250 OE2 GLU A 75 23.552 4.960 -10.920 1.00 43.19 O ATOM 251 H GLU A 75 21.592 -0.604 -11.515 1.00 0.00 H ATOM 252 N PHE A 76 24.157 -1.142 -8.474 1.00 21.82 N ATOM 253 CA PHE A 76 24.033 -2.016 -7.309 1.00 22.95 C ATOM 254 C PHE A 76 24.391 -1.189 -6.094 1.00 23.75 C ATOM 255 O PHE A 76 25.444 -0.566 -6.053 1.00 24.32 O ATOM 256 CB PHE A 76 24.949 -3.236 -7.441 1.00 23.90 C ATOM 257 CG PHE A 76 24.826 -4.236 -6.323 1.00 23.45 C ATOM 258 CD1 PHE A 76 23.803 -5.174 -6.307 1.00 29.53 C ATOM 259 CD2 PHE A 76 25.770 -4.263 -5.298 1.00 24.44 C ATOM 260 CE1 PHE A 76 23.712 -6.102 -5.292 1.00 27.71 C ATOM 261 CE2 PHE A 76 25.677 -5.193 -4.286 1.00 26.79 C ATOM 262 CZ PHE A 76 24.659 -6.114 -4.286 1.00 27.76 C ATOM 263 H PHE A 76 25.052 -0.638 -8.640 1.00 0.00 H ATOM 264 N LYS A 77 23.490 -1.139 -5.121 1.00 24.21 N ATOM 265 CA LYS A 77 23.745 -0.384 -3.907 1.00 28.06 C ATOM 266 C LYS A 77 22.917 -0.981 -2.773 1.00 31.33 C ATOM 267 O LYS A 77 21.794 -1.437 -2.996 1.00 29.91 O ATOM 268 CB LYS A 77 23.418 1.096 -4.113 1.00 29.69 C ATOM 269 CG LYS A 77 23.802 1.986 -2.917 1.00 40.57 C ATOM 270 CD LYS A 77 23.426 3.446 -3.143 1.00 50.97 C ATOM 271 CE LYS A 77 23.325 4.208 -1.823 1.00 58.33 C ATOM 272 NZ LYS A 77 22.351 3.570 -0.884 1.00 59.02 N ATOM 273 HZ1 LYS A 77 21.409 3.552 -1.323 1.00 0.00 H ATOM 274 HZ2 LYS A 77 22.657 2.598 -0.677 1.00 0.00 H ATOM 275 HZ3 LYS A 77 22.313 4.118 -0.001 1.00 0.00 H ATOM 276 H LYS A 77 22.589 -1.647 -5.229 1.00 0.00 H ATOM 277 N ASP A 78 23.486 -1.001 -1.571 1.00 31.49 N ATOM 278 CA ASP A 78 22.805 -1.550 -0.406 1.00 33.81 C ATOM 279 C ASP A 78 22.281 -2.951 -0.670 1.00 31.73 C ATOM 280 O ASP A 78 21.136 -3.271 -0.338 1.00 33.96 O ATOM 281 CB ASP A 78 21.673 -0.617 0.030 1.00 38.53 C ATOM 282 CG ASP A 78 22.182 0.752 0.433 1.00 44.43 C ATOM 283 OD1 ASP A 78 23.249 0.809 1.084 1.00 44.92 O ATOM 284 OD2 ASP A 78 21.542 1.770 0.089 1.00 46.84 O ATOM 285 H ASP A 78 24.445 -0.614 -1.460 1.00 0.00 H ATOM 286 N ASN A 79 23.137 -3.770 -1.275 1.00 26.65 N ATOM 287 CA ASN A 79 22.876 -5.177 -1.547 1.00 28.03 C ATOM 288 C ASN A 79 21.679 -5.422 -2.468 1.00 28.97 C ATOM 289 O ASN A 79 21.111 -6.510 -2.468 1.00 29.58 O ATOM 290 CB ASN A 79 22.690 -5.955 -0.236 1.00 31.81 C ATOM 291 CG ASN A 79 23.040 -7.421 -0.379 1.00 42.66 C ATOM 292 OD1 ASN A 79 24.026 -7.779 -1.025 1.00 43.63 O ATOM 293 ND2 ASN A 79 22.229 -8.280 0.219 1.00 47.29 N ATOM 294 HD22 ASN A 79 21.408 -7.933 0.754 1.00 0.00 H ATOM 295 HD21 ASN A 79 22.413 -9.301 0.153 1.00 0.00 H ATOM 296 H ASN A 79 24.054 -3.380 -1.574 1.00 0.00 H ATOM 297 N GLU A 80 21.326 -4.421 -3.274 1.00 26.66 N ATOM 298 CA GLU A 80 20.252 -4.590 -4.248 1.00 25.62 C ATOM 299 C GLU A 80 20.542 -3.942 -5.598 1.00 25.26 C ATOM 300 O GLU A 80 21.148 -2.878 -5.675 1.00 25.28 O ATOM 301 CB GLU A 80 18.926 -4.052 -3.701 1.00 31.43 C ATOM 302 CG GLU A 80 18.777 -2.548 -3.601 1.00 37.20 C ATOM 303 CD GLU A 80 17.374 -2.146 -3.163 1.00 34.24 C ATOM 304 OE1 GLU A 80 16.434 -2.977 -3.216 1.00 33.64 O ATOM 305 OE2 GLU A 80 17.185 -0.987 -2.749 1.00 41.14 O ATOM 306 H GLU A 80 21.821 -3.509 -3.208 1.00 0.00 H ATOM 307 N TRP A 81 20.082 -4.609 -6.650 1.00 26.05 N ATOM 308 CA TRP A 81 20.167 -4.084 -8.010 1.00 25.13 C ATOM 309 C TRP A 81 19.015 -3.126 -8.299 1.00 31.42 C ATOM 310 O TRP A 81 17.878 -3.376 -7.885 1.00 27.16 O ATOM 311 CB TRP A 81 20.147 -5.222 -9.021 1.00 23.83 C ATOM 312 CG TRP A 81 21.356 -6.073 -8.947 1.00 29.68 C ATOM 313 CD1 TRP A 81 21.491 -7.265 -8.292 1.00 32.70 C ATOM 314 CD2 TRP A 81 22.626 -5.783 -9.526 1.00 29.59 C ATOM 315 NE1 TRP A 81 22.771 -7.739 -8.442 1.00 36.14 N ATOM 316 CE2 TRP A 81 23.487 -6.847 -9.199 1.00 29.66 C ATOM 317 CE3 TRP A 81 23.119 -4.732 -10.300 1.00 28.16 C ATOM 318 CZ2 TRP A 81 24.813 -6.883 -9.613 1.00 32.04 C ATOM 319 CZ3 TRP A 81 24.439 -4.773 -10.710 1.00 31.74 C ATOM 320 CH2 TRP A 81 25.266 -5.836 -10.360 1.00 30.85 C ATOM 321 HE1 TRP A 81 23.137 -8.628 -8.047 1.00 0.00 H ATOM 322 H TRP A 81 19.645 -5.541 -6.500 1.00 0.00 H ATOM 323 N LYS A 82 19.313 -2.038 -9.005 1.00 24.59 N ATOM 324 CA LYS A 82 18.288 -1.113 -9.469 1.00 23.46 C ATOM 325 C LYS A 82 18.551 -0.814 -10.925 1.00 20.66 C ATOM 326 O LYS A 82 19.696 -0.884 -11.395 1.00 22.01 O ATOM 327 CB LYS A 82 18.270 0.179 -8.653 1.00 30.48 C ATOM 328 CG LYS A 82 17.341 0.151 -7.435 1.00 47.25 C ATOM 329 CD LYS A 82 17.002 1.567 -6.964 1.00 48.78 C ATOM 330 CE LYS A 82 15.927 1.538 -5.888 1.00 56.15 C ATOM 331 NZ LYS A 82 16.050 0.311 -5.060 1.00 55.68 N ATOM 332 HZ1 LYS A 82 15.944 -0.527 -5.666 1.00 0.00 H ATOM 333 HZ2 LYS A 82 16.985 0.294 -4.604 1.00 0.00 H ATOM 334 HZ3 LYS A 82 15.308 0.310 -4.332 1.00 0.00 H ATOM 335 H LYS A 82 20.309 -1.842 -9.233 1.00 0.00 H ATOM 336 N TYR A 83 17.484 -0.477 -11.637 1.00 19.62 N ATOM 337 CA TYR A 83 17.545 -0.342 -13.090 1.00 23.06 C ATOM 338 C TYR A 83 16.849 0.931 -13.492 1.00 23.93 C ATOM 339 O TYR A 83 15.704 1.141 -13.145 1.00 25.48 O ATOM 340 CB TYR A 83 16.896 -1.553 -13.780 1.00 23.50 C ATOM 341 CG TYR A 83 17.515 -2.853 -13.326 1.00 23.49 C ATOM 342 CD1 TYR A 83 17.106 -3.473 -12.148 1.00 26.80 C ATOM 343 CD2 TYR A 83 18.547 -3.421 -14.041 1.00 24.26 C ATOM 344 CE1 TYR A 83 17.693 -4.649 -11.732 1.00 29.62 C ATOM 345 CE2 TYR A 83 19.136 -4.590 -13.636 1.00 26.43 C ATOM 346 CZ TYR A 83 18.710 -5.197 -12.483 1.00 29.18 C ATOM 347 OH TYR A 83 19.315 -6.364 -12.089 1.00 33.93 O ATOM 348 HH TYR A 83 20.281 -6.201 -11.945 1.00 0.00 H ATOM 349 H TYR A 83 16.582 -0.305 -11.149 1.00 0.00 H ATOM 350 N PHE A 84 17.551 1.796 -14.212 1.00 24.19 N ATOM 351 CA PHE A 84 16.943 3.027 -14.679 1.00 24.92 C ATOM 352 C PHE A 84 16.361 2.714 -16.043 1.00 23.66 C ATOM 353 O PHE A 84 17.094 2.334 -16.948 1.00 21.77 O ATOM 354 CB PHE A 84 17.971 4.158 -14.765 1.00 26.96 C ATOM 355 CG PHE A 84 17.362 5.517 -14.949 1.00 24.41 C ATOM 356 CD1 PHE A 84 16.630 6.103 -13.931 1.00 26.32 C ATOM 357 CD2 PHE A 84 17.533 6.214 -16.139 1.00 32.01 C ATOM 358 CE1 PHE A 84 16.056 7.351 -14.096 1.00 29.88 C ATOM 359 CE2 PHE A 84 16.970 7.469 -16.305 1.00 34.65 C ATOM 360 CZ PHE A 84 16.232 8.038 -15.285 1.00 30.66 C ATOM 361 H PHE A 84 18.544 1.590 -14.443 1.00 0.00 H ATOM 362 N VAL A 85 15.046 2.826 -16.175 1.00 19.18 N ATOM 363 CA VAL A 85 14.403 2.379 -17.412 1.00 19.79 C ATOM 364 C VAL A 85 13.704 3.520 -18.113 1.00 22.11 C ATOM 365 O VAL A 85 13.286 4.496 -17.489 1.00 24.05 O ATOM 366 CB VAL A 85 13.366 1.262 -17.168 1.00 23.02 C ATOM 367 CG1 VAL A 85 14.025 0.084 -16.464 1.00 22.23 C ATOM 368 CG2 VAL A 85 12.172 1.778 -16.361 1.00 25.02 C ATOM 369 H VAL A 85 14.475 3.229 -15.405 1.00 0.00 H ATOM 370 N HIS A 86 13.592 3.372 -19.429 1.00 20.95 N ATOM 371 CA HIS A 86 12.804 4.261 -20.261 1.00 23.33 C ATOM 372 C HIS A 86 11.633 3.486 -20.838 1.00 21.45 C ATOM 373 O HIS A 86 11.813 2.374 -21.325 1.00 23.40 O ATOM 374 CB HIS A 86 13.655 4.832 -21.389 1.00 24.00 C ATOM 375 CG HIS A 86 12.846 5.493 -22.466 1.00 22.47 C ATOM 376 ND1 HIS A 86 12.142 6.657 -22.240 1.00 29.75 N ATOM 377 CD2 HIS A 86 12.617 5.146 -23.747 1.00 29.33 C ATOM 378 CE1 HIS A 86 11.523 7.004 -23.353 1.00 33.75 C ATOM 379 NE2 HIS A 86 11.787 6.111 -24.285 1.00 33.21 N ATOM 380 H HIS A 86 14.093 2.582 -19.883 1.00 0.00 H ATOM 381 N TYR A 87 10.441 4.071 -20.759 1.00 18.10 N ATOM 382 CA TYR A 87 9.236 3.418 -21.256 1.00 20.67 C ATOM 383 C TYR A 87 9.071 3.786 -22.717 1.00 26.65 C ATOM 384 O TYR A 87 8.971 4.961 -23.043 1.00 27.67 O ATOM 385 CB TYR A 87 8.030 3.848 -20.431 1.00 21.30 C ATOM 386 CG TYR A 87 8.086 3.357 -18.997 1.00 19.63 C ATOM 387 CD1 TYR A 87 7.689 2.072 -18.677 1.00 21.89 C ATOM 388 CD2 TYR A 87 8.563 4.173 -17.977 1.00 18.76 C ATOM 389 CE1 TYR A 87 7.732 1.607 -17.375 1.00 22.61 C ATOM 390 CE2 TYR A 87 8.618 3.712 -16.659 1.00 21.55 C ATOM 391 CZ TYR A 87 8.201 2.426 -16.371 1.00 22.71 C ATOM 392 OH TYR A 87 8.233 1.932 -15.075 1.00 24.47 O ATOM 393 HH TYR A 87 7.660 2.493 -14.495 1.00 0.00 H ATOM 394 H TYR A 87 10.367 5.017 -20.333 1.00 0.00 H ATOM 395 N ILE A 88 9.063 2.772 -23.578 1.00 24.02 N ATOM 396 CA ILE A 88 9.016 2.979 -25.022 1.00 28.62 C ATOM 397 C ILE A 88 7.729 3.690 -25.426 1.00 25.08 C ATOM 398 O ILE A 88 6.630 3.258 -25.070 1.00 30.90 O ATOM 399 CB ILE A 88 9.137 1.641 -25.781 1.00 27.35 C ATOM 400 CG1 ILE A 88 10.357 0.858 -25.297 1.00 28.82 C ATOM 401 CG2 ILE A 88 9.225 1.871 -27.290 1.00 30.74 C ATOM 402 CD1 ILE A 88 11.652 1.576 -25.504 1.00 30.78 C ATOM 403 H ILE A 88 9.091 1.800 -23.210 1.00 0.00 H ATOM 404 N GLY A 89 7.877 4.792 -26.155 1.00 37.43 N ATOM 405 CA GLY A 89 6.737 5.570 -26.605 1.00 35.44 C ATOM 406 C GLY A 89 6.191 6.521 -25.556 1.00 40.42 C ATOM 407 O GLY A 89 5.081 7.044 -25.697 1.00 39.43 O ATOM 408 H GLY A 89 8.835 5.105 -26.410 1.00 0.00 H ATOM 409 N TRP A 90 6.962 6.743 -24.493 1.00 30.14 N ATOM 410 CA TRP A 90 6.568 7.695 -23.462 1.00 31.55 C ATOM 411 C TRP A 90 7.601 8.802 -23.273 1.00 29.67 C ATOM 412 O TRP A 90 8.764 8.634 -23.630 1.00 32.93 O ATOM 413 CB TRP A 90 6.348 6.980 -22.130 1.00 29.20 C ATOM 414 CG TRP A 90 5.158 6.080 -22.121 1.00 30.43 C ATOM 415 CD1 TRP A 90 5.089 4.799 -22.595 1.00 28.11 C ATOM 416 CD2 TRP A 90 3.861 6.392 -21.618 1.00 33.82 C ATOM 417 NE1 TRP A 90 3.828 4.294 -22.402 1.00 32.47 N ATOM 418 CE2 TRP A 90 3.053 5.255 -21.803 1.00 34.34 C ATOM 419 CE3 TRP A 90 3.301 7.522 -21.011 1.00 35.51 C ATOM 420 CZ2 TRP A 90 1.718 5.214 -21.417 1.00 40.23 C ATOM 421 CZ3 TRP A 90 1.975 7.482 -20.627 1.00 45.39 C ATOM 422 CH2 TRP A 90 1.198 6.336 -20.831 1.00 41.91 C ATOM 423 HE1 TRP A 90 3.511 3.339 -22.666 1.00 0.00 H ATOM 424 H TRP A 90 7.861 6.228 -24.397 1.00 0.00 H ATOM 425 N ASN A 91 7.151 9.926 -22.714 1.00 30.90 N ATOM 426 CA ASN A 91 8.008 11.045 -22.330 1.00 33.10 C ATOM 427 C ASN A 91 9.228 10.585 -21.547 1.00 31.86 C ATOM 428 O ASN A 91 9.106 9.695 -20.712 1.00 29.28 O ATOM 429 CB ASN A 91 7.209 12.038 -21.480 1.00 34.86 C ATOM 430 CG ASN A 91 7.272 13.455 -22.009 1.00 40.92 C ATOM 431 OD1 ASN A 91 8.130 14.242 -21.608 1.00 44.08 O ATOM 432 ND2 ASN A 91 6.350 13.795 -22.904 1.00 47.35 N ATOM 433 HD22 ASN A 91 5.644 13.097 -23.214 1.00 0.00 H ATOM 434 HD21 ASN A 91 6.334 14.759 -23.294 1.00 0.00 H ATOM 435 H ASN A 91 6.129 10.011 -22.541 1.00 0.00 H ATOM 436 N LYS A 92 10.376 11.209 -21.789 1.00 30.56 N ATOM 437 CA LYS A 92 11.582 10.990 -20.994 1.00 31.39 C ATOM 438 C LYS A 92 11.309 11.255 -19.517 1.00 28.41 C ATOM 439 O LYS A 92 11.978 10.706 -18.639 1.00 31.21 O ATOM 440 CB LYS A 92 12.717 11.906 -21.479 1.00 38.10 C ATOM 441 CG LYS A 92 13.898 11.191 -22.106 1.00 47.06 C ATOM 442 CD LYS A 92 14.959 12.186 -22.578 1.00 44.02 C ATOM 443 CE LYS A 92 16.111 12.316 -21.586 1.00 53.05 C ATOM 444 NZ LYS A 92 15.712 12.955 -20.301 1.00 65.79 N ATOM 445 HZ1 LYS A 92 15.350 13.912 -20.489 1.00 0.00 H ATOM 446 HZ2 LYS A 92 14.970 12.385 -19.847 1.00 0.00 H ATOM 447 HZ3 LYS A 92 16.539 13.013 -19.673 1.00 0.00 H ATOM 448 H LYS A 92 10.418 11.883 -22.580 1.00 0.00 H ATOM 449 N SER A 93 10.321 12.102 -19.238 1.00 30.39 N ATOM 450 CA SER A 93 10.013 12.478 -17.864 1.00 31.42 C ATOM 451 C SER A 93 9.527 11.290 -17.020 1.00 32.58 C ATOM 452 O SER A 93 9.565 11.341 -15.794 1.00 31.13 O ATOM 453 CB SER A 93 8.977 13.608 -17.843 1.00 32.73 C ATOM 454 OG SER A 93 7.687 13.154 -18.203 1.00 32.45 O ATOM 455 HG SER A 93 7.052 13.913 -18.176 1.00 0.00 H ATOM 456 H SER A 93 9.758 12.503 -20.015 1.00 0.00 H ATOM 457 N TRP A 94 9.094 10.216 -17.674 1.00 28.43 N ATOM 458 CA TRP A 94 8.661 9.028 -16.937 1.00 26.85 C ATOM 459 C TRP A 94 9.798 8.048 -16.647 1.00 29.65 C ATOM 460 O TRP A 94 9.578 7.035 -15.978 1.00 26.77 O ATOM 461 CB TRP A 94 7.562 8.279 -17.693 1.00 23.93 C ATOM 462 CG TRP A 94 6.304 9.067 -17.913 1.00 28.65 C ATOM 463 CD1 TRP A 94 5.930 9.713 -19.060 1.00 31.73 C ATOM 464 CD2 TRP A 94 5.240 9.273 -16.973 1.00 32.70 C ATOM 465 NE1 TRP A 94 4.703 10.309 -18.888 1.00 33.79 N ATOM 466 CE2 TRP A 94 4.258 10.056 -17.615 1.00 39.72 C ATOM 467 CE3 TRP A 94 5.018 8.869 -15.653 1.00 33.99 C ATOM 468 CZ2 TRP A 94 3.081 10.447 -16.982 1.00 44.58 C ATOM 469 CZ3 TRP A 94 3.852 9.259 -15.026 1.00 45.15 C ATOM 470 CH2 TRP A 94 2.897 10.040 -15.691 1.00 49.52 C ATOM 471 HE1 TRP A 94 4.194 10.862 -19.607 1.00 0.00 H ATOM 472 H TRP A 94 9.063 10.220 -18.714 1.00 0.00 H ATOM 473 N ASP A 95 10.994 8.321 -17.165 1.00 25.21 N ATOM 474 CA ASP A 95 12.140 7.450 -16.896 1.00 23.69 C ATOM 475 C ASP A 95 12.308 7.324 -15.382 1.00 28.43 C ATOM 476 O ASP A 95 12.140 8.302 -14.659 1.00 27.93 O ATOM 477 CB ASP A 95 13.420 8.001 -17.541 1.00 28.57 C ATOM 478 CG ASP A 95 13.412 7.914 -19.070 1.00 30.52 C ATOM 479 OD1 ASP A 95 12.406 7.476 -19.662 1.00 28.43 O ATOM 480 OD2 ASP A 95 14.423 8.300 -19.691 1.00 32.59 O ATOM 481 H ASP A 95 11.115 9.161 -17.766 1.00 0.00 H ATOM 482 N GLU A 96 12.608 6.125 -14.893 1.00 24.58 N ATOM 483 CA GLU A 96 12.669 5.916 -13.446 1.00 25.27 C ATOM 484 C GLU A 96 13.482 4.697 -13.034 1.00 26.86 C ATOM 485 O GLU A 96 13.739 3.797 -13.826 1.00 22.52 O ATOM 486 CB GLU A 96 11.262 5.784 -12.855 1.00 25.40 C ATOM 487 CG GLU A 96 10.540 4.511 -13.253 1.00 26.11 C ATOM 488 CD GLU A 96 9.199 4.380 -12.567 1.00 33.47 C ATOM 489 OE1 GLU A 96 8.302 3.727 -13.133 1.00 28.14 O ATOM 490 OE2 GLU A 96 9.042 4.926 -11.450 1.00 39.02 O ATOM 491 H GLU A 96 12.800 5.334 -15.540 1.00 0.00 H ATOM 492 N TRP A 97 13.894 4.697 -11.769 1.00 25.70 N ATOM 493 CA TRP A 97 14.588 3.571 -11.171 1.00 27.87 C ATOM 494 C TRP A 97 13.592 2.540 -10.689 1.00 27.62 C ATOM 495 O TRP A 97 12.662 2.863 -9.955 1.00 30.17 O ATOM 496 CB TRP A 97 15.449 4.028 -9.983 1.00 25.60 C ATOM 497 CG TRP A 97 16.632 4.792 -10.396 1.00 25.33 C ATOM 498 CD1 TRP A 97 16.773 6.146 -10.383 1.00 28.04 C ATOM 499 CD2 TRP A 97 17.858 4.264 -10.902 1.00 29.56 C ATOM 500 NE1 TRP A 97 18.005 6.494 -10.857 1.00 32.30 N ATOM 501 CE2 TRP A 97 18.698 5.355 -11.174 1.00 30.44 C ATOM 502 CE3 TRP A 97 18.339 2.966 -11.132 1.00 23.21 C ATOM 503 CZ2 TRP A 97 19.977 5.203 -11.682 1.00 27.55 C ATOM 504 CZ3 TRP A 97 19.607 2.819 -11.644 1.00 22.77 C ATOM 505 CH2 TRP A 97 20.417 3.935 -11.907 1.00 26.61 C ATOM 506 HE1 TRP A 97 18.360 7.466 -10.961 1.00 0.00 H ATOM 507 H TRP A 97 13.711 5.538 -11.185 1.00 0.00 H ATOM 508 N ILE A 98 13.777 1.297 -11.102 1.00 22.05 N ATOM 509 CA ILE A 98 12.933 0.238 -10.584 1.00 26.78 C ATOM 510 C ILE A 98 13.756 -0.952 -10.146 1.00 27.24 C ATOM 511 O ILE A 98 14.912 -1.123 -10.550 1.00 26.47 O ATOM 512 CB ILE A 98 11.907 -0.240 -11.613 1.00 28.72 C ATOM 513 CG1 ILE A 98 12.609 -0.962 -12.754 1.00 27.18 C ATOM 514 CG2 ILE A 98 11.056 0.926 -12.118 1.00 31.19 C ATOM 515 CD1 ILE A 98 11.668 -1.325 -13.879 1.00 35.98 C ATOM 516 H ILE A 98 14.523 1.081 -11.794 1.00 0.00 H ATOM 517 N ARG A 99 13.134 -1.786 -9.322 1.00 24.26 N ATOM 518 CA ARG A 99 13.824 -2.912 -8.727 1.00 24.69 C ATOM 519 C ARG A 99 13.611 -4.179 -9.537 1.00 26.23 C ATOM 520 O ARG A 99 12.749 -4.227 -10.420 1.00 24.85 O ATOM 521 CB ARG A 99 13.338 -3.104 -7.290 1.00 27.76 C ATOM 522 CG ARG A 99 13.444 -1.836 -6.467 1.00 38.33 C ATOM 523 CD ARG A 99 12.310 -1.723 -5.463 1.00 50.84 C ATOM 524 NE ARG A 99 11.771 -0.367 -5.400 1.00 59.64 N ATOM 525 CZ ARG A 99 12.275 0.595 -4.636 1.00 57.64 C ATOM 526 NH1 ARG A 99 13.332 0.345 -3.884 1.00 60.18 N ATOM 527 NH2 ARG A 99 11.733 1.806 -4.631 1.00 58.89 N ATOM 528 HE ARG A 99 10.944 -0.142 -5.988 1.00 0.00 H ATOM 529 HH12 ARG A 99 13.732 1.094 -3.283 1.00 0.00 H ATOM 530 HH11 ARG A 99 13.764 -0.601 -3.893 1.00 0.00 H ATOM 531 HH22 ARG A 99 12.135 2.553 -4.029 1.00 0.00 H ATOM 532 HH21 ARG A 99 10.906 2.008 -5.229 1.00 0.00 H ATOM 533 H ARG A 99 12.131 -1.628 -9.099 1.00 0.00 H ATOM 534 N LEU A 100 14.379 -5.212 -9.210 1.00 25.86 N ATOM 535 CA LEU A 100 14.309 -6.481 -9.908 1.00 26.80 C ATOM 536 C LEU A 100 12.917 -7.093 -9.929 1.00 31.25 C ATOM 537 O LEU A 100 12.530 -7.712 -10.919 1.00 34.49 O ATOM 538 CB LEU A 100 15.281 -7.483 -9.277 1.00 34.84 C ATOM 539 CG LEU A 100 16.453 -7.985 -10.120 1.00 41.64 C ATOM 540 CD1 LEU A 100 17.252 -9.022 -9.334 1.00 42.58 C ATOM 541 CD2 LEU A 100 16.001 -8.544 -11.456 1.00 34.97 C ATOM 542 H LEU A 100 15.054 -5.107 -8.426 1.00 0.00 H ATOM 543 N ASP A 101 12.151 -6.938 -8.855 1.00 27.61 N ATOM 544 CA ASP A 101 10.886 -7.660 -8.810 1.00 34.73 C ATOM 545 C ASP A 101 9.796 -6.951 -9.617 1.00 31.76 C ATOM 546 O ASP A 101 8.672 -7.430 -9.689 1.00 34.77 O ATOM 547 CB ASP A 101 10.443 -7.896 -7.367 1.00 42.09 C ATOM 548 CG ASP A 101 10.314 -6.620 -6.571 1.00 50.44 C ATOM 549 OD1 ASP A 101 10.311 -5.521 -7.170 1.00 41.28 O ATOM 550 OD2 ASP A 101 10.207 -6.715 -5.326 1.00 51.59 O ATOM 551 H ASP A 101 12.445 -6.321 -8.071 1.00 0.00 H ATOM 552 N CYS A 102 10.145 -5.832 -10.250 1.00 29.56 N ATOM 553 CA CYS A 102 9.222 -5.178 -11.172 1.00 24.92 C ATOM 554 C CYS A 102 9.681 -5.298 -12.636 1.00 24.35 C ATOM 555 O CYS A 102 9.150 -4.621 -13.509 1.00 22.63 O ATOM 556 CB CYS A 102 9.038 -3.707 -10.796 1.00 31.58 C ATOM 557 SG CYS A 102 8.097 -3.461 -9.246 1.00 43.76 S ATOM 558 H CYS A 102 11.086 -5.420 -10.085 1.00 0.00 H ATOM 559 N LEU A 103 10.652 -6.163 -12.894 1.00 23.24 N ATOM 560 CA LEU A 103 11.115 -6.401 -14.268 1.00 19.85 C ATOM 561 C LEU A 103 10.753 -7.792 -14.753 1.00 24.57 C ATOM 562 O LEU A 103 10.725 -8.738 -13.974 1.00 28.23 O ATOM 563 CB LEU A 103 12.622 -6.215 -14.374 1.00 22.44 C ATOM 564 CG LEU A 103 13.148 -4.788 -14.360 1.00 26.05 C ATOM 565 CD1 LEU A 103 14.657 -4.821 -14.202 1.00 28.56 C ATOM 566 CD2 LEU A 103 12.777 -4.098 -15.658 1.00 29.03 C ATOM 567 H LEU A 103 11.094 -6.683 -12.109 1.00 0.00 H ATOM 568 N LEU A 104 10.489 -7.913 -16.047 1.00 23.67 N ATOM 569 CA LEU A 104 10.230 -9.207 -16.663 1.00 27.81 C ATOM 570 C LEU A 104 11.008 -9.312 -17.957 1.00 31.16 C ATOM 571 O LEU A 104 11.027 -8.366 -18.745 1.00 29.67 O ATOM 572 CB LEU A 104 8.738 -9.391 -16.954 1.00 31.12 C ATOM 573 CG LEU A 104 7.832 -10.174 -16.009 1.00 33.98 C ATOM 574 CD1 LEU A 104 6.429 -10.259 -16.618 1.00 26.94 C ATOM 575 CD2 LEU A 104 8.383 -11.571 -15.740 1.00 33.53 C ATOM 576 H LEU A 104 10.466 -7.059 -16.639 1.00 0.00 H ATOM 577 N LYS A 105 11.657 -10.450 -18.175 1.00 29.56 N ATOM 578 CA LYS A 105 12.269 -10.731 -19.468 1.00 29.64 C ATOM 579 C LYS A 105 11.149 -10.930 -20.479 1.00 31.37 C ATOM 580 O LYS A 105 10.068 -11.410 -20.123 1.00 38.64 O ATOM 581 CB LYS A 105 13.141 -11.988 -19.415 1.00 36.58 C ATOM 582 CG LYS A 105 14.386 -11.897 -18.543 1.00 35.90 C ATOM 583 CD LYS A 105 15.577 -11.354 -19.319 1.00 33.14 C ATOM 584 CE LYS A 105 16.839 -11.379 -18.449 1.00 33.08 C ATOM 585 NZ LYS A 105 18.034 -10.831 -19.158 1.00 30.85 N ATOM 586 HZ1 LYS A 105 18.220 -11.398 -20.010 1.00 0.00 H ATOM 587 HZ2 LYS A 105 17.852 -9.844 -19.430 1.00 0.00 H ATOM 588 HZ3 LYS A 105 18.859 -10.871 -18.526 1.00 0.00 H ATOM 589 H LYS A 105 11.730 -11.152 -17.411 1.00 0.00 H ATOM 590 N HIS A 106 11.398 -10.572 -21.729 1.00 39.82 N ATOM 591 CA HIS A 106 10.453 -10.878 -22.795 1.00 44.33 C ATOM 592 C HIS A 106 10.391 -12.382 -23.060 1.00 53.95 C ATOM 593 O HIS A 106 11.135 -13.164 -22.465 1.00 51.26 O ATOM 594 CB HIS A 106 10.831 -10.140 -24.076 1.00 39.44 C ATOM 595 CG HIS A 106 10.401 -8.711 -24.100 1.00 40.70 C ATOM 596 ND1 HIS A 106 9.075 -8.331 -24.161 1.00 35.13 N ATOM 597 CD2 HIS A 106 11.116 -7.559 -24.083 1.00 32.36 C ATOM 598 CE1 HIS A 106 8.994 -7.015 -24.175 1.00 33.50 C ATOM 599 NE2 HIS A 106 10.220 -6.522 -24.133 1.00 35.76 N ATOM 600 H HIS A 106 12.279 -10.066 -21.953 1.00 0.00 H ATOM 601 N SER A 107 9.487 -12.765 -23.954 1.00 60.87 N ATOM 602 CA SER A 107 9.344 -14.145 -24.413 1.00 62.47 C ATOM 603 C SER A 107 8.985 -15.085 -23.269 1.00 62.29 C ATOM 604 O SER A 107 8.066 -15.896 -23.391 1.00 63.92 O ATOM 605 CB SER A 107 10.623 -14.620 -25.110 1.00 54.47 C ATOM 606 OG SER A 107 10.690 -16.035 -25.133 1.00 62.42 O ATOM 607 HG SER A 107 11.523 -16.317 -25.587 1.00 0.00 H ATOM 608 H SER A 107 8.848 -12.046 -24.348 1.00 0.00 H TER 609 SER A 107 HETATM 610 O HOH 1 23.203 3.770 -7.149 1.00 47.95 O HETATM 611 O HOH 2 8.440 -18.046 -22.829 1.00 70.77 O HETATM 612 O HOH 3 18.045 -12.506 -15.321 1.00 57.68 O HETATM 613 O HOH 4 26.773 3.060 -22.398 1.00 61.45 O HETATM 614 O HOH 5 13.124 10.505 -14.629 1.00 55.02 O HETATM 615 O HOH 6 12.871 -9.984 -11.810 1.00 55.72 O HETATM 616 O HOH 7 14.164 3.613 -26.357 1.00 39.17 O HETATM 617 O HOH 8 24.876 0.587 -16.524 1.00 36.79 O HETATM 618 O HOH 9 3.675 -2.031 -26.027 1.00 52.66 O HETATM 619 O HOH 10 26.084 1.365 -14.440 1.00 39.95 O HETATM 620 O HOH 11 9.838 6.900 -19.943 1.00 26.04 O HETATM 621 O HOH 12 16.282 -5.224 -6.851 1.00 32.74 O HETATM 622 O HOH 13 7.505 6.330 -14.387 1.00 34.88 O HETATM 623 O HOH 14 18.681 -6.865 -6.103 1.00 34.73 O HETATM 624 O HOH 15 -2.667 -5.880 -12.106 1.00 26.95 O HETATM 625 O HOH 16 14.035 -9.117 -21.785 1.00 39.81 O HETATM 626 O HOH 17 5.922 1.416 -23.170 1.00 32.23 O HETATM 627 O HOH 18 10.556 -3.142 -27.178 1.00 60.06 O HETATM 628 O HOH 19 19.013 -12.771 -20.890 1.00 57.65 O HETATM 629 O HOH 20 19.013 -2.616 1.348 1.00 41.02 O HETATM 630 O HOH 21 7.366 1.346 -11.509 1.00 31.45 O HETATM 631 O HOH 22 10.785 8.772 -25.567 1.00 41.91 O HETATM 632 O HOH 23 26.053 -7.404 -14.130 1.00 70.41 O HETATM 633 O HOH 24 16.620 14.941 -18.528 1.00 61.08 O HETATM 634 O HOH 25 26.171 -0.243 -1.068 1.00 35.04 O HETATM 635 O HOH 26 3.940 -1.394 -23.498 1.00 33.21 O HETATM 636 O HOH 27 16.132 10.255 -18.531 1.00 39.99 O HETATM 637 O HOH 28 15.320 8.128 -22.387 1.00 39.11 O HETATM 638 O HOH 29 7.413 -12.436 -20.066 1.00 35.90 O HETATM 639 O HOH 30 26.486 -6.344 -1.141 1.00 31.29 O HETATM 640 O HOH 31 15.280 -5.269 -4.468 1.00 40.34 O HETATM 641 O HOH 32 8.531 -2.023 -28.083 1.00 64.38 O HETATM 642 O HOH 33 20.653 -10.027 -20.511 1.00 57.81 O HETATM 643 O HOH 34 5.829 -6.965 -9.662 1.00 50.50 O HETATM 644 O HOH 35 10.591 -0.956 -8.213 1.00 44.44 O HETATM 645 O HOH 36 5.680 -7.445 -25.842 1.00 58.51 O HETATM 646 O HOH 37 7.474 -12.108 -25.974 1.00 62.12 O HETATM 647 O HOH 38 13.118 -6.718 -6.101 1.00 39.56 O HETATM 648 O HOH 39 13.341 7.092 -10.154 1.00 38.08 O HETATM 649 O HOH 40 17.107 -6.449 -25.952 1.00 36.16 O HETATM 650 O HOH 41 3.368 6.344 -28.025 1.00 48.24 O HETATM 651 O HOH 42 10.860 -3.642 -24.710 1.00 34.52 O HETATM 652 O HOH 43 23.970 -9.478 -24.791 1.00 56.08 O HETATM 653 O HOH 44 8.222 -8.960 -12.311 1.00 43.89 O HETATM 654 O HOH 45 -5.397 -0.743 -8.743 1.00 66.34 O HETATM 655 O HOH 46 4.881 1.597 -9.831 1.00 46.57 O HETATM 656 O HOH 47 25.043 -3.757 -18.143 1.00 52.39 O HETATM 657 O HOH 48 -2.467 2.290 -18.950 1.00 69.57 O HETATM 658 O HOH 49 12.252 -12.287 -15.737 1.00 40.30 O HETATM 659 O HOH 50 13.911 13.982 -17.958 1.00 48.66 O HETATM 660 O HOH 51 6.410 -9.943 -24.481 1.00 38.93 O HETATM 661 O HOH 52 12.933 -11.250 -13.832 1.00 75.69 O HETATM 662 O HOH 53 15.798 6.068 -24.255 1.00 45.45 O HETATM 663 O HOH 54 18.159 11.030 -18.133 1.00 62.12 O HETATM 664 O HOH 55 14.282 1.479 -28.678 1.00 58.36 O HETATM 665 O HOH 56 7.078 8.215 -12.213 1.00 54.17 O HETATM 666 O HOH 57 2.928 2.678 -26.464 1.00 66.95 O HETATM 667 O HOH 58 17.731 9.094 -22.065 1.00 60.27 O HETATM 668 O HOH 59 27.505 -6.138 -14.163 1.00 69.92 O HETATM 669 O HOH 60 18.987 7.181 -23.712 1.00 67.47 O HETATM 670 N M A 3 -1.614 6.802 -15.786 1.00 0.23 N HETATM 671 CA M A 3 -0.445 7.424 -15.187 1.00 0.03 C HETATM 672 CB M A 3 0.779 7.128 -16.059 1.00 0.00 C HETATM 673 CG M A 3 0.672 5.733 -16.664 1.00 -0.04 C HETATM 674 CD M A 3 2.013 5.008 -16.688 1.00 -0.01 C HETATM 675 CE M A 3 2.941 5.599 -17.740 1.00 -0.03 C HETATM 676 NZ M A 3 4.306 5.077 -17.578 1.00 0.24 N HETATM 677 CM1 M A 3 4.333 3.623 -17.790 1.00 -0.04 C HETATM 678 H13 M A 3 5.361 3.253 -17.665 1.00 0.08 H HETATM 679 H14 M A 3 3.983 3.394 -18.807 1.00 0.08 H HETATM 680 H15 M A 3 3.675 3.133 -17.057 1.00 0.08 H HETATM 681 CM2 M A 3 4.799 5.362 -16.225 1.00 -0.04 C HETATM 682 H16 M A 3 4.785 6.448 -16.051 1.00 0.08 H HETATM 683 H17 M A 3 5.828 4.988 -16.123 1.00 0.08 H HETATM 684 H18 M A 3 4.153 4.864 -15.487 1.00 0.08 H HETATM 685 CM3 M A 3 5.175 5.739 -18.558 1.00 -0.04 C HETATM 686 H19 M A 3 4.809 5.528 -19.574 1.00 0.08 H HETATM 687 H20 M A 3 6.202 5.360 -18.452 1.00 0.08 H HETATM 688 H21 M A 3 5.165 6.825 -18.383 1.00 0.08 H HETATM 689 H11 M A 3 2.958 6.694 -17.634 1.00 0.08 H HETATM 690 H12 M A 3 2.569 5.333 -18.741 1.00 0.08 H HETATM 691 H9 M A 3 1.842 3.946 -16.917 1.00 0.03 H HETATM 692 H10 M A 3 2.487 5.099 -15.700 1.00 0.03 H HETATM 693 H7 M A 3 0.300 5.822 -17.695 1.00 0.03 H HETATM 694 H8 M A 3 -0.039 5.142 -16.067 1.00 0.03 H HETATM 695 H5 M A 3 1.687 7.187 -15.441 1.00 0.03 H HETATM 696 H6 M A 3 0.837 7.871 -16.868 1.00 0.03 H HETATM 697 C M A 3 -0.658 8.912 -15.061 1.00 0.08 C HETATM 698 O M A 3 -1.452 9.359 -14.201 1.00 -0.56 O HETATM 699 OXT M A 3 -0.040 9.698 -15.817 1.00 -0.56 O HETATM 700 H4 M A 3 -0.284 7.001 -14.184 1.00 0.10 H HETATM 701 H1 M A 3 -1.462 5.809 -15.866 1.00 0.20 H HETATM 702 H2 M A 3 -1.770 7.193 -16.702 1.00 0.20 H HETATM 703 H3 M A 3 -2.420 6.973 -15.206 1.00 0.20 H CONECT 1 2 11 12 13 CONECT 11 1 CONECT 12 1 CONECT 13 1 CONECT 670 671 701 702 703 CONECT 671 670 672 697 700 CONECT 672 671 673 695 696 CONECT 673 672 674 693 694 CONECT 674 673 675 691 692 CONECT 675 674 676 689 690 CONECT 676 675 677 681 685 CONECT 677 676 678 679 680 CONECT 678 677 CONECT 679 677 CONECT 680 677 CONECT 681 676 682 683 684 CONECT 682 681 CONECT 683 681 CONECT 684 681 CONECT 685 676 686 687 688 CONECT 686 685 CONECT 687 685 CONECT 688 685 CONECT 689 675 CONECT 690 675 CONECT 691 674 CONECT 692 674 CONECT 693 673 CONECT 694 673 CONECT 695 672 CONECT 696 672 CONECT 697 671 698 699 CONECT 698 697 CONECT 699 697 CONECT 700 671 CONECT 701 670 CONECT 702 670 CONECT 703 670 MASTER 0 0 0 0 0 0 0 0 702 1 38 5 END
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Related entries of code: 4pl6
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4pli
RCSB PDB
PDBbind
75aa, >4PLI_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1avp
RCSB PDB
PDBbind
11-mer
1bbz
RCSB PDB
PDBbind
11-mer
1c5f
RCSB PDB
PDBbind
11-mer
1cwb
RCSB PDB
PDBbind
11-mer
1cwc
RCSB PDB
PDBbind
11-mer
1cyn
RCSB PDB
PDBbind
11-mer
1d4t
RCSB PDB
PDBbind
11-mer
1d4w
RCSB PDB
PDBbind
11-mer
1d8e
RCSB PDB
PDBbind
11-mer
1ddm
RCSB PDB
PDBbind
11-mer
1ff1
RCSB PDB
PDBbind
11-mer
1h25
RCSB PDB
PDBbind
11-mer
1h26
RCSB PDB
PDBbind
11-mer
1h27
RCSB PDB
PDBbind
11-mer
1h28
RCSB PDB
PDBbind
11-mer
1h3h
RCSB PDB
PDBbind
11-mer
1h6e
RCSB PDB
PDBbind
11-mer
1iq1
RCSB PDB
PDBbind
11-mer
1irs
RCSB PDB
PDBbind
11-mer
1jm4
RCSB PDB
PDBbind
11-mer
1l2z
RCSB PDB
PDBbind
11-mer
1lcj
RCSB PDB
PDBbind
11-mer
1mik
RCSB PDB
PDBbind
11-mer
1om2
RCSB PDB
PDBbind
11-mer
1ox9
RCSB PDB
PDBbind
11-mer
1qng
RCSB PDB
PDBbind
11-mer
1qnh
RCSB PDB
PDBbind
11-mer
1s9v
RCSB PDB
PDBbind
11-mer
1sps
RCSB PDB
PDBbind
11-mer
1ths
RCSB PDB
PDBbind
11-mer
1uj0
RCSB PDB
PDBbind
11-mer
1ukh
RCSB PDB
PDBbind
11-mer
1xn2
RCSB PDB
PDBbind
11-mer
1zh7
RCSB PDB
PDBbind
11-mer
1zub
RCSB PDB
PDBbind
11-mer
2aof
RCSB PDB
PDBbind
11-mer
2aoi
RCSB PDB
PDBbind
11-mer
2bj4
RCSB PDB
PDBbind
11-mer
2bz8
RCSB PDB
PDBbind
11-mer
2cia
RCSB PDB
PDBbind
11-mer
2cv3
RCSB PDB
PDBbind
11-mer
2eh8
RCSB PDB
PDBbind
11-mer
2ez5
RCSB PDB
PDBbind
11-mer
2h2g
RCSB PDB
PDBbind
11-mer
2h2h
RCSB PDB
PDBbind
11-mer
2h9m
RCSB PDB
PDBbind
11-mer
2h9n
RCSB PDB
PDBbind
11-mer
2h9p
RCSB PDB
PDBbind
11-mer
2hdx
RCSB PDB
PDBbind
11-mer
2hmh
RCSB PDB
PDBbind
11-mer
2jdl
RCSB PDB
PDBbind
11-mer
2jkr
RCSB PDB
PDBbind
11-mer
2jkt
RCSB PDB
PDBbind
11-mer
2kpl
RCSB PDB
PDBbind
11-mer
2ks9
RCSB PDB
PDBbind
11-mer
2ksa
RCSB PDB
PDBbind
11-mer
2ksb
RCSB PDB
PDBbind
11-mer
2l3r
RCSB PDB
PDBbind
11-mer
2m0o
RCSB PDB
PDBbind
11-mer
2m3m
RCSB PDB
PDBbind
11-mer
2m3o
RCSB PDB
PDBbind
11-mer
2o9k
RCSB PDB
PDBbind
11-mer
2or9
RCSB PDB
PDBbind
11-mer
2qhr
RCSB PDB
PDBbind
11-mer
2r02
RCSB PDB
PDBbind
11-mer
2r05
RCSB PDB
PDBbind
11-mer
2w9r
RCSB PDB
PDBbind
11-mer
2wfj
RCSB PDB
PDBbind
11-mer
2x2c
RCSB PDB
PDBbind
11-mer
2z6w
RCSB PDB
PDBbind
11-mer
3asl
RCSB PDB
PDBbind
11-mer
3ax5
RCSB PDB
PDBbind
11-mer
3dpo
RCSB PDB
PDBbind
11-mer
3e8u
RCSB PDB
PDBbind
11-mer
3eov
RCSB PDB
PDBbind
11-mer
3eyf
RCSB PDB
PDBbind
11-mer
3gxz
RCSB PDB
PDBbind
11-mer
3i90
RCSB PDB
PDBbind
11-mer
3iiw
RCSB PDB
PDBbind
11-mer
3iiy
RCSB PDB
PDBbind
11-mer
3ij0
RCSB PDB
PDBbind
11-mer
3ij1
RCSB PDB
PDBbind
11-mer
3lgl
RCSB PDB
PDBbind
11-mer
3ll8
RCSB PDB
PDBbind
11-mer
3m53
RCSB PDB
PDBbind
11-mer
3m54
RCSB PDB
PDBbind
11-mer
3m55
RCSB PDB
PDBbind
11-mer
3m56
RCSB PDB
PDBbind
11-mer
3m57
RCSB PDB
PDBbind
11-mer
3m58
RCSB PDB
PDBbind
11-mer
3m59
RCSB PDB
PDBbind
11-mer
3m5a
RCSB PDB
PDBbind
11-mer
3me9
RCSB PDB
PDBbind
11-mer
3mea
RCSB PDB
PDBbind
11-mer
3met
RCSB PDB
PDBbind
11-mer
3oap
RCSB PDB
PDBbind
11-mer
3odi
RCSB PDB
PDBbind
11-mer
3odl
RCSB PDB
PDBbind
11-mer
3p4f
RCSB PDB
PDBbind
11-mer
3p9h
RCSB PDB
PDBbind
11-mer
3pqz
RCSB PDB
PDBbind
11-mer
3qzv
RCSB PDB
PDBbind
11-mer
3rbq
RCSB PDB
PDBbind
11-mer
3rl7
RCSB PDB
PDBbind
11-mer
3rl8
RCSB PDB
PDBbind
11-mer
3rwd
RCSB PDB
PDBbind
11-mer
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RCSB PDB
PDBbind
11-mer
3u0t
RCSB PDB
PDBbind
11-mer
3uvk
RCSB PDB
PDBbind
11-mer
3uvl
RCSB PDB
PDBbind
11-mer
3uvn
RCSB PDB
PDBbind
11-mer
3uvo
RCSB PDB
PDBbind
11-mer
3uvx
RCSB PDB
PDBbind
11-mer
3uw9
RCSB PDB
PDBbind
11-mer
3v2x
RCSB PDB
PDBbind
11-mer
3va4
RCSB PDB
PDBbind
11-mer
3zke
RCSB PDB
PDBbind
11-mer
3zkf
RCSB PDB
PDBbind
11-mer
4aa2
RCSB PDB
PDBbind
11-mer
4b8o
RCSB PDB
PDBbind
11-mer
4bd3
RCSB PDB
PDBbind
11-mer
4ds1
RCSB PDB
PDBbind
11-mer
4e9c
RCSB PDB
PDBbind
11-mer
4fgy
RCSB PDB
PDBbind
11-mer
4g69
RCSB PDB
PDBbind
11-mer
4ht6
RCSB PDB
PDBbind
11-mer
4htp
RCSB PDB
PDBbind
11-mer
4hyb
RCSB PDB
PDBbind
11-mer
4j7i
RCSB PDB
PDBbind
11-mer
4j8g
RCSB PDB
PDBbind
11-mer
4jjm
RCSB PDB
PDBbind
11-mer
4ln2
RCSB PDB
PDBbind
11-mer
4n7g
RCSB PDB
PDBbind
11-mer
4n7y
RCSB PDB
PDBbind
11-mer
4o3t
RCSB PDB
PDBbind
11-mer
4o62
RCSB PDB
PDBbind
11-mer
4pli
RCSB PDB
PDBbind
11-mer
4pr5
RCSB PDB
PDBbind
11-mer
4pra
RCSB PDB
PDBbind
11-mer
4prb
RCSB PDB
PDBbind
11-mer
4prd
RCSB PDB
PDBbind
11-mer
4pre
RCSB PDB
PDBbind
11-mer
4prh
RCSB PDB
PDBbind
11-mer
4pri
RCSB PDB
PDBbind
11-mer
4prn
RCSB PDB
PDBbind
11-mer
4prp
RCSB PDB
PDBbind
11-mer
4pxf
RCSB PDB
PDBbind
11-mer
4qc1
RCSB PDB
PDBbind
11-mer
4qyo
RCSB PDB
PDBbind
11-mer
4tk1
RCSB PDB
PDBbind
11-mer
4tk2
RCSB PDB
PDBbind
11-mer
4tk3
RCSB PDB
PDBbind
11-mer
4tk4
RCSB PDB
PDBbind
11-mer
4tmp
RCSB PDB
PDBbind
11-mer
4u68
RCSB PDB
PDBbind
11-mer
4u91
RCSB PDB
PDBbind
11-mer
4w5a
RCSB PDB
PDBbind
11-mer
4wph
RCSB PDB
PDBbind
11-mer
4x6s
RCSB PDB
PDBbind
11-mer
4xc2
RCSB PDB
PDBbind
11-mer
4yje
RCSB PDB
PDBbind
11-mer
4yk6
RCSB PDB
PDBbind
11-mer
4yv9
RCSB PDB
PDBbind
11-mer
4yy6
RCSB PDB
PDBbind
11-mer
4yyi
RCSB PDB
PDBbind
11-mer
4yym
RCSB PDB
PDBbind
11-mer
4yyn
RCSB PDB
PDBbind
11-mer
5a0e
RCSB PDB
PDBbind
11-mer
5agu
RCSB PDB
PDBbind
11-mer
5agv
RCSB PDB
PDBbind
11-mer
5ah2
RCSB PDB
PDBbind
11-mer
5awt
RCSB PDB
PDBbind
11-mer
5awu
RCSB PDB
PDBbind
11-mer
5b6c
RCSB PDB
PDBbind
11-mer
5c6v
RCSB PDB
PDBbind
11-mer
5c7e
RCSB PDB
PDBbind
11-mer
5c7f
RCSB PDB
PDBbind
11-mer
5csz
RCSB PDB
PDBbind
11-mer
5dah
RCSB PDB
PDBbind
11-mer
5ewz
RCSB PDB
PDBbind
11-mer
5ez0
RCSB PDB
PDBbind
11-mer
5hpm
RCSB PDB
PDBbind
11-mer
5ick
RCSB PDB
PDBbind
11-mer
5id0
RCSB PDB
PDBbind
11-mer
5igq
RCSB PDB
PDBbind
11-mer
5jin
RCSB PDB
PDBbind
11-mer
5jiy
RCSB PDB
PDBbind
11-mer
5jm4
RCSB PDB
PDBbind
11-mer
5kez
RCSB PDB
PDBbind
11-mer
5l3f
RCSB PDB
PDBbind
11-mer
5l3g
RCSB PDB
PDBbind
11-mer
5lgq
RCSB PDB
PDBbind
11-mer
5mlw
RCSB PDB
PDBbind
11-mer
5nne
RCSB PDB
PDBbind
11-mer
5svx
RCSB PDB
PDBbind
11-mer
5svy
RCSB PDB
PDBbind
11-mer
5tdr
RCSB PDB
PDBbind
11-mer
5tdw
RCSB PDB
PDBbind
11-mer
5tq1
RCSB PDB
PDBbind
11-mer
5tqs
RCSB PDB
PDBbind
11-mer
5vlk
RCSB PDB
PDBbind
11-mer
5xhz
RCSB PDB
PDBbind
11-mer
5ygd
RCSB PDB
PDBbind
11-mer
6au5
RCSB PDB
PDBbind
11-mer
6axj
RCSB PDB
PDBbind
11-mer
6axp
RCSB PDB
PDBbind
11-mer
6ayn
RCSB PDB
PDBbind
11-mer
6azk
RCSB PDB
PDBbind
11-mer
6azl
RCSB PDB
PDBbind
11-mer
6ct7
RCSB PDB
PDBbind
11-mer
6g0q
RCSB PDB
PDBbind
11-mer
6qzr
RCSB PDB
PDBbind
11-mer
6qtw
RCSB PDB
PDBbind
11-mer
6qs1
RCSB PDB
PDBbind
11-mer
6om2
RCSB PDB
PDBbind
11-mer
6i5n
RCSB PDB
PDBbind
11-mer
6i5j
RCSB PDB
PDBbind
11-mer
6i4x
RCSB PDB
PDBbind
11-mer
6hks
RCSB PDB
PDBbind
11-mer
6gy5
RCSB PDB
PDBbind
11-mer
6g8q
RCSB PDB
PDBbind
11-mer
6g8p
RCSB PDB
PDBbind
11-mer
6g8l
RCSB PDB
PDBbind
11-mer
6g8k
RCSB PDB
PDBbind
11-mer
6g8j
RCSB PDB
PDBbind
11-mer
6g8i
RCSB PDB
PDBbind
11-mer
6g6x
RCSB PDB
PDBbind
11-mer
Entry Information
PDB ID
4pl6
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
chromodomain of MRG2
Ligand Name
11-mer
EC.Number
E.C.-.-.-.-
Resolution
1.68(Å)
Affinity (Kd/Ki/IC50)
Kd=0.8mM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2014) Plos Genet. Vol. 10: pp. e1004617-e1004617
Ligand Properties
Formula
C
9
H
2
2
N
2
O
2
Molecular Weight
190.283
Exact Mass
190.168
No. of atoms
35
No. of bonds
34
Polar Surface Area
64.94
LOGP Value
-1.36 (
Computed with XLOGP3
)
-0.44 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 0
Canonical SMILES
OC(=O)[C@H](CCCC[N+](C)(C)C)[NH3+]
InChI String
InChI=1S/C9H20N2O2/c1-11(2,3)7-5-4-6-8(10)9(12)13/h8H,4-7,10H2,1-3H3/p+2/t8-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P59169
Q4V3E2
Entrez Gene ID
NCBI Entrez Gene ID:
830164
830165
830965
839455
ASD
Information of known allosteric effects of PDB entries
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